1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.23912809E-01 -0.66821826E-37 -0.14230154E-18 0.10842022E-18 0.21369611E-03 -0.12784060E-02 -0.18295912E-18 -0.83009229E-19 0.18966155E-02 -0.42532552E-02 -0.14230154E-18 -0.10842022E-18 0.25896737E-01 -0.19185644E-35 0.75555339E-18 -0.33542505E-18 0.12793467E-02 0.32450777E-02 0.18295912E-18 0.83009229E-19 0.21369611E-03 0.12784060E-02 0.75555339E-18 0.33542505E-18 0.14676687E-01 0.00000000E+00 -0.75555339E-18 0.33542505E-18 0.21369611E-03 -0.12784060E-02 -0.18295912E-18 0.83009229E-19 0.12793467E-02 -0.32450777E-02 -0.75555339E-18 -0.33542505E-18 0.25896737E-01 0.19185644E-35 0.14230154E-18 -0.10842022E-18 0.18966155E-02 0.42532552E-02 0.18295912E-18 -0.83009229E-19 0.21369611E-03 0.12784060E-02 0.14230154E-18 0.10842022E-18 0.23912809E-01 0.66821826E-37